Green Hydrogen Generation Utilizing Efficient Phthalocyanine-Based Electrocatalyst Mahesh Itagi, Mohammed Yaseen, Mohammed Imadadulla, T. Manjuraj, Young‐Ho Ahn Chemsuschem, 2026 Energy production and use must be in balance with the ecosystem since it is a necessary part of life. Among the many renewable and non‐renewable energy sources, hydrogen is considered a sustainable and green energy source. Sustainable hydrogen production will be required for the hydrogen economy, and this can be accomplished by electrochemically splitting water with efficient electrocatalysts. Because of their significant catalytic activity, low overpotential, and low energy consumption, platinum (Pt) and Pt‐based catalysts are utilized. The hydrogen evolution reaction (HER), which uses pricey Pt catalysts to electrocatalytically reduce water to molecular hydrogen, has the potential to be a sustainable energy source; however, its limited availability and high cost limit its practical applicability. As a result, a simple, low‐cost, stable, and environmentally friendly thiol‐substituted cobalt phthalocyanine (MTCoPc) was utilized as an electrocatalyst for HER activity. MTCoPc/SP (SP: super‐p) hybrid composite electrocatalyst demonstrated good HER catalytic performance in 1 M KOH, with overpotentials of 110 and 169 mV at current densities of 10 and 50 mA cm −2 , respectively. The MTCoPc/SP hybrid composite's remarkable activity toward HER and long‐term stability make it a potential electrocatalyst for real‐time application.
Synthesis and Structure of Novel Ruthenium(II) Mixed Ligands Complexes: Density Functional Theory, DNA Binding and Antimicrobial Studies via PACT Therapy T. Manjuraj, P.N. Prashanth Kumar, B.C. Vasantha Kumar, Mohammed Imadadulla, H.P. Shivarudrappa, Saleem M. Desai, M.R. Lokesh Asian Journal of Chemistry, 2025 Ruthenium(II)-based complexes exhibited efficient light-harvesting capabilities that facilitate the enhanced generation of hydroxyl radicals, thereby significantly promoting antibacterial activity. The novel Ru(II) complexes can be represented as [Ru(II)(bfq)(bipy)]Cl2 (Ru-L1), [Ru(II)(bpdc)(bipy)2]Cl2 (Ru-L2) and [Ru(II)(bfq)(NCS)2]Cl2 (Ru-L3), where bfq = benzofuranquinoline carboxylic acid and bipy = bipyridine. The synthesized Ru(II) complexes were characterized with 1H NMR, IR and UV-visible techniques. The physical measurements such as viscosity measurements and denaturation thermal studies explore the behaviour of DNA binding of the synthesized Ru(II) complexes. In this context, the studies on DFT, molecular electrostatic potential and antimicrobial photodynamic therapy against Escherichia coli cells were also conducted. The obtained results show significant inhibition growth of bacterial cells was determined via PACT therapy.
Synthesis, characterization, dft, dna binding/cleavage studies of schiff base metal (ii) complexes Research Journal of Chemistry and Environment, 2020
Spectral, dft, molecular docking and antibacterial activity studies of schiff base derived from furan-2-carbaldehyde and their metal(Ii) complexes Manjuraj T, Yuvaraj TCM, Jayanna N D, Shreedhara S H, Sarvajith M S Journal of the Turkish Chemical Society Section A Chemistry, 2020 Metal (II) complexes of Cobalt(II) (1), Copper(II) (2), Nickel(II) (3), and Zinc(II) (4) with Schiff base ligand derived from furan-2-carbaldehyde were synthesized and elucidated by IR, electronic, mass, 1H NMR, magnetic susceptibility measurements. Using DFT-based optimization of structures, bond length, bond angle, HOMO-LUMO energy gaps and molecular electrostatic potential maps (MEP) of ligand and complexes 1-3 were theoretically calculated at the B3LYP/LANL2DZ level of theory. HOMO-LUMO energy gap was calculated which allowed the calculation of relative properties like chemical hardness, chemical inertness, chemical potential. The Ni(II) and Cu(II) complexes showed potent inhibition against all the bacterial strains. In comparison with antibacterial activity, molecular docking studies were carried out with protein receptor SEC2 (PDB: 1STE) in Staphylococcus aureus
Synthesis, spectral studies, XRD, thermal analysis and biological screening of metal complexes derived from (N-(3-methoxyphenyl)-2-[(2E)-3-phenylprop-2-enoyl] hydrazinecarboxamide Yuvaraj TCM, Parameshwara Naik P, Venkatesh T. V, Krishnamurthy G, Manjuraj T Journal of the Turkish Chemical Society Section A Chemistry, 2018 A series of Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) metal complexes are derived from ligand (N-(3-methoxyphenyl)-2-[(2E)-3-phenylprop-2-enoyl]hydrazinecarboxamide[MPH], and structurally characterized by various physicochemical and spectral tools such as IR, UV-Visible, 1H-NMR, LC-Mass, powder XRD and TGA-DTC.These studies showed that the ligand coordinated to the metal atom in a bidentate manner and have octahedral environment.X-ray diffraction studies indicates that the Co(II) and Cu(II) complexes are Crystalline in nature, Degradation mechanism, kinetic and thermodynamic parameters of the synthesized metal complexes has been evaluated.The synthesized compounds were evaluated for in vitroantioxidant DPPH assay, in which metal complexes showed excellent activity. The molecular docking analysis by using human antioxidant enzyme DTT (PDB: 3MNG)have also been evaluated. The ligand and their metal complexes were screened for their antifungal and antibacterial activities against different species of pathogenic fungi and bacteria.
